Compound Detail
CHEMBL1403349
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Basic Information
| ChEMBL ID | CHEMBL1403349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGLXHDCQJSFDEN-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
256.3
MW (Da)
4.01
ALogP
3
HBA
0
HBD
25.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Androgen receptor CHEMBL1871 | IC50 | 5.9 | 5.9 | 1270.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 5.8 | 5.425 | 1580.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Androgen receptor | IC50 | = | 1270.0 | nM | 5.9 | Inhibition of androgen receptor transcriptional activity in human LNCaP cells af... | 25062331 |
| Protein skinhead-1 | IC50 | = | 1580.0 | nM | 5.8 | PubChem BioAssay. SAR analysis of small molecule inhibitors of SKN-1 in a fluore... | - |
| Protein skinhead-1 | IC50 | = | 2030.0 | nM | 5.69 | PubChem BioAssay. SAR analysis to confirm small molecule inhibitors of SKN-1 in ... | - |
| Protein skinhead-1 | IC50 | = | 5860.0 | nM | 5.23 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
| Protein skinhead-1 | IC50 | = | 10500.0 | nM | 4.98 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25062331 | 10.1021/jm500802j | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine